2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-hexan-2-yl-1,3,4-oxadiazole

C24H23Cl3N4O — CID 24993705

IUPAC2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-hexan-2-yl-1,3,4-oxadiazole
SMILESCCCCC(C)c1nnc(-c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c2C)o1
InChIInChI=1S/C24H23Cl3N4O/c1-4-5-6-14(2)23-29-30-24(32-23)21-15(3)31(18-10-7-16(25)8-11-18)22(28-21)19-12-9-17(26)13-20(19)27/h7-14H,4-6H2,1-3H3
InChIKeyIJWSSKLUEFXCQE-UHFFFAOYSA-N
MW489.83 g/mol
LogP8.15
Rot. Bonds7

About 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-hexan-2-yl-1,3,4-oxadiazole

2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-hexan-2-yl-1,3,4-oxadiazole (PubChem CID 24993705) has the molecular formula C24H23Cl3N4O and a molecular weight of 489.83 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-hexan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-hexan-2-yl-1,3,4-oxadiazole
PubChem CID24993705
Molecular FormulaC24H23Cl3N4O
Molecular Weight489.83 g/mol
Exact Mass488.09
IUPAC Name2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-hexan-2-yl-1,3,4-oxadiazole
SMILESCCCCC(C)c1nnc(-c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c2C)o1
InChIInChI=1S/C24H23Cl3N4O/c1-4-5-6-14(2)23-29-30-24(32-23)21-15(3)31(18-10-7-16(25)8-11-18)22(28-21)19-12-9-17(26)13-20(19)27/h7-14H,4-6H2,1-3H3
InChIKeyIJWSSKLUEFXCQE-UHFFFAOYSA-N
XLogP8.15
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.83
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-methyl-1H-imidazole-4-carboxylic acid tert-butyl ester
CID 11293531
2-(1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-1H-imidazol-4-yl)-5-(1-(trifluoromethyl)cyclobutyl)-1,3,4-oxadiazole
CID 24992089
2-(1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-1H-imidazol-4-yl)-5-(1-(4-chlorophenyl)cyclopropyl)-1,3,4-oxadiazole
CID 24992090
2-tert-butyl-5-(1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-1H-imidazol-4-yl)-1,3,4-oxadiazole
CID 24993058
2-(1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-1H-imidazol-4-yl)-5-cyclopentyl-1,3,4-oxadiazole
CID 24993059
2-(1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-1H-imidazol-4-yl)-5-cyclobutyl-1,3,4-oxadiazole
CID 24993060
2-(1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-1H-imidazol-4-yl)-5-cycloheptyl-1,3,4-oxadiazole
CID 24993061
2-(1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-1H-imidazol-4-yl)-5-(pentan-2-yl)-1,3,4-oxadiazole
CID 24993706
2-(1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-1H-imidazol-4-yl)-5-isopropyl-1,3,4-oxadiazole
CID 24994020
2-(1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-1H-imidazol-4-yl)-5-(pentan-3-yl)-1,3,4-oxadiazole
CID 24994021
2-(1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-1H-imidazol-4-yl)-5-(1-phenylethyl)-1,3,4-oxadiazole
CID 24994022
2-tert-butyl-5-(1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-ethyl-1H-imidazol-4-yl)-1,3,4-oxadiazole
CID 24994322

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-hexan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-hexan-2-yl-1,3,4-oxadiazole (CID 24993705) is 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-hexan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-hexan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-hexan-2-yl-1,3,4-oxadiazole is CCCCC(C)c1nnc(-c2nc(-c3ccc(Cl)cc3Cl)n(-c3ccc(Cl)cc3)c2C)o1.
What is the InChIKey of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-hexan-2-yl-1,3,4-oxadiazole?
The InChIKey is IJWSSKLUEFXCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl3N4O/c1-4-5-6-14(2)23-29-30-24(32-23)21-15(3)31(18-10-7-16(25)8-11-18)22(28-21)19-12-9-17(26)13-20(19)27/h7-14H,4-6H2,1-3H3.
What are the key properties of 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-hexan-2-yl-1,3,4-oxadiazole?
2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-hexan-2-yl-1,3,4-oxadiazole has a molecular weight of 489.83 g/mol, XLogP of 8.15, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]-5-hexan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 24993705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).